N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide

C16H31N3O2 — CID 60962542

IUPACN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-13(2)17-11-10-15(20)18(3)12-16(21)19(4)14-8-6-5-7-9-14/h13-14,17H,5-12H2,1-4H3
InChIKeyQJJCVTHUPHQJRS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.62
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide

N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide (PubChem CID 60962542) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
PubChem CID60962542
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-13(2)17-11-10-15(20)18(3)12-16(21)19(4)14-8-6-5-7-9-14/h13-14,17H,5-12H2,1-4H3
InChIKeyQJJCVTHUPHQJRS-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
3-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873292
5-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 82850535
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(methylamino)propanamide
CID 62638065
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 79012366
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 61163036
N-cyclopentyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60953799
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide (CID 60962542) is N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The InChIKey is QJJCVTHUPHQJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)17-11-10-15(20)18(3)12-16(21)19(4)14-8-6-5-7-9-14/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60962542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).